2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide

C15H14BrFN2OS — CID 43305873

IUPAC2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESNc1cc(Br)ccc1SCC(=O)NCc1ccccc1F
InChIInChI=1S/C15H14BrFN2OS/c16-11-5-6-14(13(18)7-11)21-9-15(20)19-8-10-3-1-2-4-12(10)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyFGZLQORPAJVUNT-UHFFFAOYSA-N
MW369.26 g/mol
LogP3.58
Rot. Bonds5

About 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide

2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 43305873) has the molecular formula C15H14BrFN2OS and a molecular weight of 369.26 g/mol. Its IUPAC name is 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID43305873
Molecular FormulaC15H14BrFN2OS
Molecular Weight369.26 g/mol
Exact Mass368.00
IUPAC Name2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESNc1cc(Br)ccc1SCC(=O)NCc1ccccc1F
InChIInChI=1S/C15H14BrFN2OS/c16-11-5-6-14(13(18)7-11)21-9-15(20)19-8-10-3-1-2-4-12(10)17/h1-7H,8-9,18H2,(H,19,20)
InChIKeyFGZLQORPAJVUNT-UHFFFAOYSA-N
XLogP3.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.26
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide (CID 43305873) is 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide is Nc1cc(Br)ccc1SCC(=O)NCc1ccccc1F.
What is the InChIKey of 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is FGZLQORPAJVUNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2OS/c16-11-5-6-14(13(18)7-11)21-9-15(20)19-8-10-3-1-2-4-12(10)17/h1-7H,8-9,18H2,(H,19,20).
What are the key properties of 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide?
2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 369.26 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-bromophenyl)sulfanyl-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 43305873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).